SCHEMBL13626320

SCHEMBL13626320

CC(=O)N[C@H](CN1CCOCC1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.54
LMNA P02545 5/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 3/20 0.51
TP53 P04637 2/20 0.51
HIF1A Q16665 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 1/20 0.51
CYP2C19 P33261 1/20 0.51
UGCG Q16739 1/20 0.51
MTOR P42345 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
GMNN O75496 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13136011 1.00 GPR88 (0.54) GPR88LMNAALDH1A1MAPTMEN1
SCHEMBL4148021 0.89 GPR88 (0.53) GPR88LMNAALDH1A1MAPTMEN1
SCHEMBL22229267 0.89 GPR88 (0.53) GPR88LMNAALDH1A1MAPTMEN1
SCHEMBL13626316 0.86 KMT2A (0.53) GPR88ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL12666562 0.85 GPR88 (0.52) GPR88LMNAALDH1A1MAPTMEN1
SCHEMBL13626234 0.84 GAA (0.57) GPR88ALDH1A1MEN1KMT2AROCK2
SCHEMBL16938510 0.83 MEN1 (0.69) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL19645362 0.83 MEN1 (0.69) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL12091630 0.83 MEN1 (0.69) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL12091628 0.83 MEN1 (0.69) LMNAALDH1A1MAPTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009138440-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-19 WO disclosed